ChemSpider 2D Image | (1beta)-7-Hydroxy-6,6'-dimethoxy-2,2'-dimethylberbaman-12-yl acetate | C38H40N2O7

(1β)-7-Hydroxy-6,6'-dimethoxy-2,2'-dimethylberbaman-12-yl acetate

  • Molecular FormulaC38H40N2O7
  • Average mass636.733 Da
  • Monoisotopic mass636.283569 Da
  • ChemSpider ID8683713

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1β)-7-Hydroxy-6,6'-dimethoxy-2,2'-dimethylberbaman-12-yl acetate [ACD/IUPAC Name]
(1β)-7-Hydroxy-6,6'-dimethoxy-2,2'-dimethylberbaman-12-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1β)-7-hydroxy-6,6'-diméthoxy-2,2'-diméthylberbaman-12-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 392.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 178.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 332.68
ACD/KOC (pH 7.4): 1369.84
Polar Surface Area: 90 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 519.2±3.0 cm3

Click to predict properties on the Chemicalize site


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